2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid

C20H22FNO5 — CID 119179923

IUPAC2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)ccc1OCC(=O)O
InChIInChI=1S/C20H22FNO5/c1-4-26-18-11-15(7-10-17(18)27-12-19(23)24)20(25)22(3)13(2)14-5-8-16(21)9-6-14/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyVAFQATLACCGHRW-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.52
Rot. Bonds8

About 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119179923) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid
PubChem CID119179923
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Name2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)ccc1OCC(=O)O
InChIInChI=1S/C20H22FNO5/c1-4-26-18-11-15(7-10-17(18)27-12-19(23)24)20(25)22(3)13(2)14-5-8-16(21)9-6-14/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyVAFQATLACCGHRW-UHFFFAOYSA-N
XLogP3.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
3-[(3,4-diethoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227905
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid (CID 119179923) is 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is VAFQATLACCGHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-4-26-18-11-15(7-10-17(18)27-12-19(23)24)20(25)22(3)13(2)14-5-8-16(21)9-6-14/h5-11,13H,4,12H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 375.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[1-(4-fluorophenyl)ethyl-methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119179923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).